[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4OS2/c27-20(25-21-24-18-12-6-7-13-19(18)29-21)16-28-22(23-17-10-4-3-5-11-17)26-14-8-1-2-9-15-26/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,25,27)